Crystallography Open Database

Information card for entry 7231810

Preview

Coordinates	7231810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H23 B8 I
Calculated formula	C9 H23 B8 I
Title of publication	Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry
Authors of publication	Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	67
Pages of publication	38238
a	7.7088 ± 0.0004 Å
b	13.5358 ± 0.0007 Å
c	16.1895 ± 0.0009 Å
α	90°
β	102.909 ± 0.002°
γ	90°
Cell volume	1646.59 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211970 (current)	2018-11-15	cif/ Adding structures of 7231810, 7231811 via cif-deposit CGI script.	7231810.cif